SCHEMBL21268366

SCHEMBL21268366

CC(C)(C)OC(=O)Oc1c[c]cc(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.44
▸ CA2 P00918 1/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ KDM1A O60341 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21268213 0.88 ELANE (0.44) ELANECA2KDM1A
SCHEMBL21268207 0.85 ELANE (0.53) ELANECA2KDM1A
SCHEMBL21268385 0.85 ELANE (0.42) ELANECA2KDM1APPARGPPARA
SCHEMBL21268281 0.84 ELANE (0.41) ELANECA2KDM1A
SCHEMBL21268334 0.83 ELANE (0.40) ELANECA2KDM1APPARGPPARA
SCHEMBL6564954 0.82 ELANE (0.50) ELANECA2CYP4F2CYP4A11KDM1A
SCHEMBL21268202 0.81 ELANE (0.46) ELANECA2KDM1A
SCHEMBL21268164 0.81 ELANE (0.49) ELANECA2KDM1A
SCHEMBL21268440 0.81 ELANE (0.43) ELANECA2KDM1A
SCHEMBL21268442 0.80 ELANE (0.45) ELANECA2KDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 — — EP disclosed
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